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ID Business Solutions - http://www.idbs.com/
Integrated framework for discovery data, from initial data capture to results analysis and reporting, to long-term data management. |
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Molinspiration Cheminformatics - http://www.molinspiration.com/
Web-enabled software for large-scale calculation of molecular properties and database searches. Free online molecular descriptor calculations. |
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Advanced Pharma Algorithms - http://ap-algorithms.com/
PC Software for QSAR and lead optimization. QSAR Builder, ADME/Tox Screens, QSAR Statistics, and Algorithm Builder. |
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Virtual Computational Chemistry Laboratory - http://www.vcclab.org
Free on-line calculation of lipophilicity, logP, aqueous solubility, logS, molecular indices using Java applets. Analysis methods include neural networks, partial least squares and unsupervised forward selection. |
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Cheminformatics.org - http://www.cheminformatics.org
Links to cheminformatics programs and QSAR datasets. Most programs are free, at least to academics. |